UCSF

ZINC37873904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.07 -0.48 -79.06 3 9 1 135 305.336 6
Hi High (pH 8-9.5) -1.07 -1.68 -23.64 2 9 0 130 304.328 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )